N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide

C26H30N8O2 — CID 56602557

IUPACN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCOCC4)ccn3)c3ncnc(N)c23)cc1
InChIInChI=1S/C26H30N8O2/c1-17-4-6-18(7-5-17)22-21-23(27)30-16-31-24(21)34(32-22)26(2,3)15-29-25(35)20-14-19(8-9-28-20)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,29,35)(H2,27,30,31)
InChIKeySEKTUCDSYCPMDP-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 56602557) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID56602557
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCOCC4)ccn3)c3ncnc(N)c23)cc1
InChIInChI=1S/C26H30N8O2/c1-17-4-6-18(7-5-17)22-21-23(27)30-16-31-24(21)34(32-22)26(2,3)15-29-25(35)20-14-19(8-9-28-20)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,29,35)(H2,27,30,31)
InChIKeySEKTUCDSYCPMDP-UHFFFAOYSA-N
XLogP2.78
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 56602557) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCOCC4)ccn3)c3ncnc(N)c23)cc1.
What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is SEKTUCDSYCPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17-4-6-18(7-5-17)22-21-23(27)30-16-31-24(21)34(32-22)26(2,3)15-29-25(35)20-14-19(8-9-28-20)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,29,35)(H2,27,30,31).
What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 56602557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).